NMR Data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12), 1H, 13C, HMBC
DOI: 10.14469/hpc/11560 Metadata
Created: 2022-10-26 08:22
Last modified: 2024-04-02 08:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary NMR data for sample 12.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 12-hmbc.zip | 2MB | application/zip | Bruker primary data archive |
| 12-hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 12-hmbc.zip |
| 12-hmbc.mnova | 1MB | chemical/x-mnova | Mnova data archive |
| 12-hmbc.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 12-hmbc.mnova |
| 12-hmbc.jdx | 750KB | chemical/x-jcamp-dx | JCAMP-DX Spectrum |
| 12-hmbc.pdf | 25KB | application/pdf | Spectrum as PDF |
| 12.png | 21KB | image/png | Image structure representation |
| 12.cdxml | 9KB | chemical/x-cdxml | Chemdraw connection table |
| 12.mol | 3KB | chemical/x-mdl-molfile | MDL Molfile |
| 12.cdxml | 8KB | chemical/x-cdxml | Chemdraw connection table, V2 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11555 | NMR Data for Compound 12. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C12H12N2O3.Na/c1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h3-8,15H,2H2,1H3;/q;+1/p-1 |
| inchikey | AKKLILOXIQSUNT-UHFFFAOYSA-M |
| NMR_Expt | HMBC |
| NMR_Nucleus | 1H |
| NMR_Nucleus | 13C |
| NMR_Solvent | CD3OD |
| SMILES | CCOC1=O[Na]OC2=C1C=NN2C3=CC=CC=C3 |